4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane

C16H31BO2 — CID 132559327

IUPAC4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane
SMILESCCCC/C=C/C(B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C16H31BO2/c1-8-9-10-11-12-14(13(2)3)17-18-15(4,5)16(6,7)19-17/h11-14H,8-10H2,1-7H3/b12-11+
InChIKeyDYNWQLFGMDQFCC-VAWYXSNFSA-N
MW266.23 g/mol
LogP4.85
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane (PubChem CID 132559327) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane
PubChem CID132559327
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane
SMILESCCCC/C=C/C(B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C16H31BO2/c1-8-9-10-11-12-14(13(2)3)17-18-15(4,5)16(6,7)19-17/h11-14H,8-10H2,1-7H3/b12-11+
InChIKeyDYNWQLFGMDQFCC-VAWYXSNFSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-hept-2-ene-1,1-diol
CID 87660901
2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102349997
(Z)-2-methyloct-3-ene;octane
CID 159051061
(E)-3-methylnon-4-ene
CID 13082837
4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
CID 86013616
4,4,5,5-tetramethyl-2-[(E)-7-phenylhept-3-en-2-yl]-1,3,2-dioxaborolane
CID 101377681
(Z,2R)-non-3-en-2-ol
CID 11040800
4-ethyl-2-methyldec-5-ene
CID 123185566
4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
CID 132938680
1,1-dichlorohept-2-ene
CID 87443085
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
undec-3-en-2-ol
CID 174515693

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane (CID 132559327) is 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane is CCCC/C=C/C(B1OC(C)(C)C(C)(C)O1)C(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane?
The InChIKey is DYNWQLFGMDQFCC-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H31BO2/c1-8-9-10-11-12-14(13(2)3)17-18-15(4,5)16(6,7)19-17/h11-14H,8-10H2,1-7H3/b12-11+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane has a molecular weight of 266.23 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 132559327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).